r22982 - /trunk/lib/dispersion/b14.py -- May 05, 2014 - 20:18

Author: tlinnet
Date: Mon May  5 20:18:50 2014
New Revision: 22982

URL: http://svn.gna.org/viewcvs/relax?rev=22982&view=rev
Log:
Replaced Trel with relax_time, to use relax parameter conventions.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) 
B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging

Modified:
    trunk/lib/dispersion/b14.py

Modified: trunk/lib/dispersion/b14.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=22982&r1=22981&r2=22982&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Mon May  5 20:18:50 2014
@@ -132,7 +132,6 @@
 
     # Conversion from relax parameters, to the exact code of Baldwin.
     pb = 1 - pA
-    Trel = relax_time
 
     #########################################################################
     ##### Baldwins code.
@@ -142,9 +141,6 @@
     kge = kex * pb
     deltaR2 = r20a - r20b
     alpha_m = r20a - r20b + kge - keg
-    #  This is not used
-    #nu_cpmg = ncyc/Trel
-    #tcp = Trel/(4.0 * ncyc)  #time for one free precession element
 
     #########################################################################
     #get the real and imaginary components of the exchange induced shift
@@ -208,8 +204,8 @@
 
     Tog = (1 + y) / 2 + (1 - y) / (2 * v3) * v2pPdN / N
 
-    # Estimate R2eff.
-    Minty = Rpre - ncyc/Trel * arccosh(ex0b.real) - 1/Trel * log(Tog.real)
+    # Estimate R2eff. relax_time = Trel. 
+    Minty = Rpre - ncyc/relax_time * arccosh(ex0b.real) - 1/relax_time * 
log(Tog.real)
 
     # Loop over the time points, back calculating the R2eff values.
     for i in range(num_points):